SCHEMBL5217356

SCHEMBL5217356

O=c1[nH]cc(Cc2ccc(F)c(F)c2)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.45
ROCK1 Q13464 1/20 0.43
PDPK1 O15530 1/20 0.42
GPR84 Q9NQS5 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR6 P50406 1/20 0.40
TNF P01375 1/20 0.39
MET P08581 1/20 0.39
PARP1 P09874 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5216676 0.84 CYP3A4 (0.47) KMT2A
SCHEMBL5216843 0.83 MEN1 (0.47) DAOGPR84MEN1KMT2AHTR6
SCHEMBL5215190 0.82 DAO (0.49) DAOGPR84MEN1KMT2AMET
SCHEMBL5223001 0.79 KMT2A (0.62) DAOGPR84MEN1KMT2AHTR6
SCHEMBL6605700 0.77 MEN1 (0.47) GPR84MEN1KMT2AHTR6MET
SCHEMBL3157223 0.74 MET (0.53) GPR84MEN1KMT2AHTR6MET
SCHEMBL6600430 0.73 DAO (0.50) DAOMEN1KMT2AMET
SCHEMBL12955373 0.72 LMNA (0.68) PARP1
SCHEMBL6607081 0.72 KDM4E (0.49) MEN1KMT2AHTR6METPARP1
SCHEMBL1586483 0.71 DAO (0.44) DAOPARP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397350-B1 ISOQUINOLINONE DERIVATIVES AS PARP INHIBITORS KUDOS PHARM LTD (GB) 2007-02-28 EP disclosed
EP-1397350-B1 ISOQUINOLINONE DERIVATIVES AS PARP INHIBITORS KUDOS PHARM LTD (GB) 2007-02-28 EP disclosed
EP-1397350-A1 ISOQUINOLINONE DERIVATIVES AS PARP INHIBITORS Kudos Pharmaceuticals Limited (GB) 2004-03-17 EP disclosed
US-6664269-B2 Adminisetring isoquinolinone compounds for therapy of disease mediated by the enzyme poly(ADP- ribose)polymerase (\"PARP\") MAYBRIDGE PLC (GB) 2003-12-16 US disclosed
US-20030008896-A1 Isoquinolinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2003-01-09 US disclosed
WO-2002090334-A1 ISOQUINOLINONE DERIVATIVES AS PARP INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2002-11-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030008896-A1 Isoquinolinone derivatives PARP1, PARP2, PARP3 DAO 2461/4885ROCK1 2948/4885PDPK1 181/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.